Geometry & MOs

Info

ID:	304900
PubChem CID:	124766290
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	508.220951
ΔH_f, kcal/mol:	-141.24
Dipole, Da:	7.85
IP(EA), eV:	-9.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-5-(3-acetylphenyl)-1-(2,4-dimethoxyphenyl)-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C=CCN1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C=CCN1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):